N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide

C14H27NO2 — CID 20790225

IUPACN-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCC1CC1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)11(17-9-10-7-8-10)12(16)15-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyVYAIFGHCCWNNPE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide

N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide (PubChem CID 20790225) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
PubChem CID20790225
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCC1CC1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)11(17-9-10-7-8-10)12(16)15-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyVYAIFGHCCWNNPE-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide (CID 20790225) is N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide is CC(C)(C)NC(=O)C(OCC1CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The InChIKey is VYAIFGHCCWNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)11(17-9-10-7-8-10)12(16)15-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide is sourced from PubChem (CID 20790225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).